Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid
TL;DR: Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid (CAS 29311-67-9) is a chemical compound with molecular formula C7HF13O5S and molecular weight 443.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acid
Also Known As: Nafion Byproduct 1, ddiOPFLSA C7, PFESA BP 1, C7HF13O5S, Perfluoro-3,6-dioxa-4-methyl-7-octenesulfonic acid
| Molecular Formula | C7HF13O5S |
|---|---|
| Molecular Weight | 443.93 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.93372 |
| Heavy Atoms | 26 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 29311-67-9 |
|---|---|
| SMILES | C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F)(F)F)F |
| InChIKey | AUUAIQGEFIEHRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid (CAS 29311-67-9), with molecular formula C7HF13O5S and molecular weight 443.93 g/mol. IUPAC: 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acid.
Chemical Property Profile of Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid
Property Insights of Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid
The XLogP value of 3.7 indicates that Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid. Following Lipinski's Rule of Five, Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid?
The CAS number of Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid is 29311-67-9.
What is the molecular formula of Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid?
The molecular formula of Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid is C7HF13O5S.
What is the molecular weight of Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid?
The molecular weight of Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid is 443.93 g/mol.
Where can I buy Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid?
You can request a quote for Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.